SCHEMBL9875291

SCHEMBL9875291

CCCCCCC(=O)C(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.54
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CES1 P23141 5/20 0.46
CES2 O00748 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 1/20 0.45
RIPK1 Q13546 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL9625240 0.76 KDM4E (0.39) HPGDKMT2ARIPK1
SCHEMBL9625532 0.75 KDM4E (0.45) GAAHPGDMEN1KMT2ARIPK1
SCHEMBL9626513 0.73 RIPK1 (0.47) GAAHPGDMEN1KMT2ARIPK1
SCHEMBL3832104 0.73 KCNN4 (0.48) GAAHPGDRIPK1
SCHEMBL2124623 0.71 FAAH (0.55) FAAHHPGDCES1
SCHEMBL4214974 0.71 DGKA (0.51) FAAHGAAHPGDKMT2AHTR7
SCHEMBL9625600 0.71 RIPK1 (0.43) HPGDRIPK1
SCHEMBL12215274 0.71 HPGD (0.88) FAAHHPGD
SCHEMBL4216635 0.71 DGKA (0.51) FAAHGAAHPGDKMT2AHTR7
SCHEMBL10582270 0.71 RIPK1 (0.43) HPGDRIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994480-A Protecting plants, industrial materials BAYER AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0338344-A2 Substituted triazolyl methyl carbinoles BAYER AG (DE) 1989-10-25 EP disclosed